REMARK  Name = BDB014770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.426   1.354  -0.338  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.587   2.220  -0.833  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.992   3.012  -2.578  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.586   2.708  -1.226  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.729   2.706  -0.138  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.254   2.699  -0.236  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.739   1.452   0.400  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.462   0.830   0.363  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.467  -0.282   1.106  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.717  -0.388   1.594  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -3.511   0.650   1.220  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -4.941   0.892   1.557  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.280   2.353   1.185  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -6.792   2.485  -1.121  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.067  -1.528   2.432  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.729  -2.621   1.645  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -2.903  -3.641   0.903  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -3.671  -4.048   2.131  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.896   0.896  -0.541  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        1.396  -0.303  -0.029  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.722  -0.698  -0.259  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.599   0.096  -1.011  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.101   1.301  -1.524  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.776   1.694  -1.291  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.990  -0.321  -1.252  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        5.827  -0.703  -0.188  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        7.154  -1.113  -0.399  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        7.657  -1.118  -1.706  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.845  -0.744  -2.776  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.524  -0.350  -2.549  0.00  0.00    +0.008 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.046  -1.477   0.758  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1        7.327  -2.229   1.726  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1        7.955  -2.442   2.436  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 7